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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267916'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM267916
PNG
(4-{8-amino-3-[(2R)-4-(cyanomethyl)morpholin-2-yl]i...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCC#N)CCO1 |r|
Show InChI InChI=1S/C26H23F3N8O2/c27-26(28,29)18-6-8-32-20(14-18)34-25(38)17-4-2-16(3-5-17)21-22-23(31)33-9-11-37(22)24(35-21)19-15-36(10-1-7-30)12-13-39-19/h2-6,8-9,11,14,19H,1,10,12-13,15H2,(H2,31,33)(H,32,34,38)/t19-/m1/s1
PDB
MMDB

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US Patent
n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)


BindingDB Entry DOI: 10.7270/Q2H9977T
More data for this
Ligand-Target Pair